AE-848/12915017
TL;DR: AE-848/12915017 (CAS 326617-34-9) is a chemical compound with molecular formula C26H24N2O6S and molecular weight 492.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-4-methylthiophene-3-carboxylate
Also Known As: AE-848/12915017, F0238-0017, ethyl 5-acetyl-2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-(4-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}butanamido)-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C26H24N2O6S |
|---|---|
| Molecular Weight | 492.14 g/mol |
| LogP | 4.60392 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.1355 |
| Heavy Atoms | 35 |
| Complexity | 1339.235 |
Chemical Identifiers
| CAS Number | 326617-34-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
AE-848/12915017 (CAS 326617-34-9), with molecular formula C26H24N2O6S and molecular weight 492.14 g/mol. IUPAC: ethyl 5-acetyl-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of AE-848/12915017
Property Insights of AE-848/12915017
The XLogP value of 4.60392 indicates that AE-848/12915017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/12915017. Following Lipinski's Rule of Five, AE-848/12915017 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/12915017?
The CAS number of AE-848/12915017 is 326617-34-9.
What is the molecular formula of AE-848/12915017?
The molecular formula of AE-848/12915017 is C26H24N2O6S.
What is the molecular weight of AE-848/12915017?
The molecular weight of AE-848/12915017 is 492.14 g/mol.
Where can I buy AE-848/12915017?
You can request a quote for AE-848/12915017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/12915017?
Yes, KEHONG BIO provides custom synthesis services for AE-848/12915017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.